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Methyl (2R,3R,4R)-[4-Methyl-5-oxo-4-[(phenylthio)2-propyltetrahydrofuran-3-yl]acetate
SpectraBase Compound ID 5H3LXAxUTsf
InChI InChI=1S/C17H22O4S/c1-4-8-14-13(11-15(18)20-3)17(2,16(19)21-14)22-12-9-6-5-7-10-12/h5-7,9-10,13-14H,4,8,11H2,1-3H3/t13-,14-,17-/m1/s1
InChIKey NCJAJRRRBIPPOW-CKEIUWERSA-N
Mol Weight 322.42 g/mol
Molecular Formula C17H22O4S
Exact Mass 322.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aga3CEFH6qh
Name Methyl (2R,3R,4R)-[4-Methyl-5-oxo-4-[(phenylthio)2-propyltetrahydrofuran-3-yl]acetate
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Formula C17H22O4S
InChI InChI=1S/C17H22O4S/c1-4-8-14-13(11-15(18)20-3)17(2,16(19)21-14)22-12-9-6-5-7-10-12/h5-7,9-10,13-14H,4,8,11H2,1-3H3/t13-,14-,17-/m1/s1
InChIKey NCJAJRRRBIPPOW-CKEIUWERSA-N
Molecular Weight 322.419 g/mol
SMILES [C@]1(C(O[C@@]([C@]1(CC(=O)OC)[H])(CCC)[H])=O)(Sc1ccccc1)C
SPLASH splash10-00di-0039000000-b481bff980840b636b62
Source of Spectrum J-59-4470-27
Synonyms Methyl[(2R,3R,4R)-4-methyl-5-oxo-4-(phenylsulfanyl)-2-propyltetrahydro-3-furanyl]acetate
Wiley ID 1321584